X-Ray Diffraction Analysis Report

Calculated d-spacing and lattice constants (Å)

For an FCC lattice, the lattice constant $a$ can be inferred from the d-spacing $d$ using the formulas: $a_{111} = d \times \sqrt{1^2+1^2+1^2} = d \times \sqrt{3}$ and $a_{200} = d \times \sqrt{2^2+0^2+0^2} = d \times 2$.

Comparing with known lattice constant $a$ of 5.640 Å

  • Kα Fit: inferred d = 5.233 Å, inferred a_111 = 9.063 Å (Error: 60.69%), inferred a_200 = 10.465 Å (Error: 85.55%)
  • Kβ Fit: inferred d = 5.220 Å, inferred a_111 = 9.041 Å (Error: 60.30%), inferred a_200 = 10.440 Å (Error: 85.10%)
  • Combined Fit: inferred d = 5.226 Å, inferred a_111 = 9.052 Å (Error: 60.50%), inferred a_200 = 10.452 Å (Error: 85.33%)

Peak Table

Predefined Angle Fitted Angle Amplitude Sigma Gamma
0 7.7 7.712368 63.271877 0.222469 0.063929
1 8.5 8.513609 318.460076 0.101672 0.259613
2 14.1 14.185799 8.236184 0.266300 0.000100
3 15.9 15.845718 38.000003 0.307529 0.029789
4 20.7 20.678310 2.019427 0.176116 0.000100
5 23.3 23.261042 27.822970 0.155351 0.150898
6 27.7 27.754329 21.769809 0.000100 0.675282
7 31.4 31.393098 35.484358 0.000100 0.345147

Calculated d-spacing and lattice constants (Å)

For an FCC lattice, the lattice constant $a$ can be inferred from the d-spacing $d$ using the formulas: $a_{111} = d \times \sqrt{1^2+1^2+1^2} = d \times \sqrt{3}$ and $a_{200} = d \times \sqrt{2^2+0^2+0^2} = d \times 2$.

Comparing with known lattice constant $a$ of 4.026 Å

  • Kα Fit: inferred d = 3.540 Å, inferred a_111 = 6.131 Å (Error: 52.28%), inferred a_200 = 7.079 Å (Error: 75.84%)
  • Kβ Fit: inferred d = 3.493 Å, inferred a_111 = 6.050 Å (Error: 50.27%), inferred a_200 = 6.986 Å (Error: 73.52%)
  • Combined Fit: inferred d = 3.516 Å, inferred a_111 = 6.090 Å (Error: 51.26%), inferred a_200 = 7.032 Å (Error: 74.66%)

Peak Table

Predefined Angle Fitted Angle Amplitude Sigma Gamma
0 11.1 11.106211 585.601800 0.000100 0.359277
1 12.3 12.266542 844.445408 0.206491 0.019250
2 20.4 20.401194 43.663521 0.231546 0.000100
3 22.8 22.761997 254.206441 0.116611 0.174515